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Chemical ID: 4324495
Chemical ID:
4324495
Name [?]:
2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)NCCOC
InChi [?]:
InChI=1/C13H19NO3/c1-10-4-5-12(11(2)8-10)17-9-13(15)14-6-7-16-3/h4-5,8H,6-7,9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,17,3,4,14,15,7,10,2,6,5,11,13,12,16,9/rA:17nCCCCCCCCOCCONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.25212 |
Area: | 456.735 |
Solvation: | -5.16624 |
Coulombic: | -36.0374 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 237.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.58 |
LogP (Chemaxon): | 1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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